SCHEMBL28856465

SCHEMBL28856465

CCc1ccccc1SC(=S)SSC(=S)Sc1ccccc1CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ HTT P42858 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28856472 0.81 ACHE (0.45) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL1080945 0.81 ACHE (0.45) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL9124737 0.79 ACHE (0.44) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL2130135 0.79 ACHE (0.44) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL29004554 0.79 ACHE (0.44) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL27265426 0.79 ACHE (0.44) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL4184972 0.78 ACHE (0.43) ACHEMAPTGAAALDH1A1GABRA1
SCHEMBL12419024 0.76 CA12 (0.55) ACHEMAPTALDH1A1GABRA1GABRB2
SCHEMBL8538646 0.74 ACHE (0.50) ACHEMAPTALDH1A1GABRA1GABRB2
SCHEMBL15105264 0.73 HPGD (0.41) ACHEALDH1A1HTTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181404-B Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2023-04-21 — — CN claimed
CN-115819751-A Branched macromolecular chain transfer agent, preparation method and application 中国科学技术大学 2023-03-21 — — CN claimed
CN-115181404-A Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2022-10-14 — — CN claimed
CN-115181404-B Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2023-04-21 — — CN disclosed
CN-115181404-B Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2023-04-21 — — CN disclosed
CN-115819751-A Branched macromolecular chain transfer agent, preparation method and application 中国科学技术大学 2023-03-21 — — CN disclosed
CN-115181404-A Preparation method of modified rice hull fiber/polylactic acid composite material 湖南建工集团有限公司 2022-10-14 — — CN disclosed
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